SCHEMBL4728367

SCHEMBL4728367

Cc1ncc(NC(=O)c2cc(C(=O)O)cc(C(C)(C)C)c2)cc1-c1ccc(C(=O)NCC2CCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.50
CYP2C9 P11712 1/20 0.50
ATM Q13315 1/20 0.49
HPGD P15428 6/20 0.48
HTT P42858 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ALOX12 P18054 1/20 0.47
POLB P06746 2/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
EPHA3 P29320 1/20 0.45
FRK P42685 1/20 0.45
RAF1 P04049 1/20 0.45
BRAF P15056 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
EIF4E P06730 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4725920 0.89 EGLN1 (0.48) MAPK14CYP2C9ATMHPGDHTT
SCHEMBL4728221 0.84 HPGD (0.48) MAPK14CYP2C9HPGDKMT2AMEN1
SCHEMBL4728365 0.83 RAF1 (0.41) RAF1BRAF
SCHEMBL4729210 0.82 TRPV1 (0.42) MAPK14EPHA3FRKRAF1BRAF
SCHEMBL4728308 0.81 EGLN1 (0.48) ATMHPGDHTTTAAR1KMT2A
SCHEMBL4781066 0.80 MAPK14 (0.55) MAPK14EPHA3FRKRAF1
SCHEMBL4781803 0.79 MAPK14 (0.50) MAPK14CYP2C9RAF1BRAF
SCHEMBL4730164 0.77 MAPK14 (0.53) MAPK14CYP2C9EPHA3FRKRAF1
SCHEMBL4784220 0.77 MAPK14 (0.42) MAPK14EPHA3FRKRAF1BRAF
SCHEMBL4727468 0.77 MAPK14 (0.47) MAPK14EPHA3FRKRAF1BRAF

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008021388-A1 HETEROARYL DERIVATIVES AS CYTOKINE INHIBITORS KEMIA, INC. (US) 2008-02-21 WO disclosed